USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.0602 X(o=-0.06,f=-0.31) USER MOD Single : A 1 ASN N :NH3+ -123:sc= -2.63! (180deg=-5.78!) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.416 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 102:sc= 0.988 USER MOD Single : A 34 ASN : amide:sc= -4.76! C(o=-4.8!,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -6:sc= 0.39 USER MOD Single : A 42 ASN : amide:sc= -5.27! C(o=-5.3!,f=-9!) USER MOD Single : A 43 HIS : no HD1:sc= -19.9! C(o=-20!,f=-20!) USER MOD Single : A 44 SER OG : rot 80:sc= -0.536! USER MOD Single : A 48 ASN : amide:sc= -0.16 K(o=-0.16,f=-4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.79!) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.739 USER MOD Single : A 64 THR OG1 : rot -103:sc= 0.0563 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 16.246 9.066 -7.805 1.00 0.00 N ATOM 2 CA ASN A 1 14.981 9.862 -7.826 1.00 0.00 C ATOM 3 C ASN A 1 13.808 9.005 -7.344 1.00 0.00 C ATOM 4 O ASN A 1 13.141 9.347 -6.388 1.00 0.00 O ATOM 5 CB ASN A 1 14.779 10.274 -9.288 1.00 0.00 C ATOM 6 CG ASN A 1 15.293 11.699 -9.493 1.00 0.00 C ATOM 7 OD1 ASN A 1 14.947 12.595 -8.749 1.00 0.00 O ATOM 8 ND2 ASN A 1 16.111 11.950 -10.479 1.00 0.00 N ATOM 0 H1 ASN A 1 16.949 9.548 -7.209 1.00 0.00 H new ATOM 0 H2 ASN A 1 16.054 8.120 -7.418 1.00 0.00 H new ATOM 0 H3 ASN A 1 16.616 8.976 -8.773 1.00 0.00 H new ATOM 0 HA ASN A 1 15.036 10.729 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.309 9.587 -9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 1 13.723 10.216 -9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 1 16.459 12.898 -10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 1 16.402 11.198 -11.104 1.00 0.00 H new ATOM 17 N PRO A 2 13.594 7.915 -8.029 1.00 0.00 N ATOM 18 CA PRO A 2 12.488 6.993 -7.672 1.00 0.00 C ATOM 19 C PRO A 2 12.823 6.224 -6.390 1.00 0.00 C ATOM 20 O PRO A 2 13.308 5.111 -6.432 1.00 0.00 O ATOM 21 CB PRO A 2 12.408 6.051 -8.868 1.00 0.00 C ATOM 22 CG PRO A 2 13.772 6.083 -9.482 1.00 0.00 C ATOM 23 CD PRO A 2 14.355 7.443 -9.192 1.00 0.00 C ATOM 0 HA PRO A 2 11.547 7.507 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.139 5.041 -8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.648 6.379 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.401 5.297 -9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.715 5.909 -10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.421 7.382 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.242 8.115 -10.043 1.00 0.00 H new ATOM 31 N LEU A 3 12.565 6.808 -5.251 1.00 0.00 N ATOM 32 CA LEU A 3 12.868 6.110 -3.968 1.00 0.00 C ATOM 33 C LEU A 3 11.608 5.424 -3.432 1.00 0.00 C ATOM 34 O LEU A 3 10.501 5.866 -3.672 1.00 0.00 O ATOM 35 CB LEU A 3 13.327 7.216 -3.015 1.00 0.00 C ATOM 36 CG LEU A 3 13.955 6.595 -1.764 1.00 0.00 C ATOM 37 CD1 LEU A 3 12.861 5.982 -0.891 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.950 5.507 -2.176 1.00 0.00 C ATOM 0 H LEU A 3 12.158 7.738 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 3 13.625 5.335 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.050 7.862 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.480 7.842 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 3 14.476 7.369 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.310 5.541 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.155 6.758 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.336 5.210 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.396 5.066 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.430 4.734 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.733 5.945 -2.795 1.00 0.00 H new ATOM 50 N ILE A 4 11.768 4.348 -2.707 1.00 0.00 N ATOM 51 CA ILE A 4 10.582 3.631 -2.154 1.00 0.00 C ATOM 52 C ILE A 4 9.545 4.634 -1.643 1.00 0.00 C ATOM 53 O ILE A 4 9.889 5.675 -1.119 1.00 0.00 O ATOM 54 CB ILE A 4 11.135 2.789 -0.994 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.680 1.468 -1.542 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.025 2.495 0.026 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.516 0.582 -1.992 1.00 0.00 C ATOM 0 H ILE A 4 12.671 3.934 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 4 10.084 3.017 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 4 11.933 3.345 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.351 1.659 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.264 0.958 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.430 1.898 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.636 3.433 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.220 1.945 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.904 -0.359 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.863 0.381 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.951 1.092 -2.772 1.00 0.00 H new ATOM 69 N PRO A 5 8.304 4.270 -1.800 1.00 0.00 N ATOM 70 CA PRO A 5 7.195 5.135 -1.335 1.00 0.00 C ATOM 71 C PRO A 5 7.143 5.126 0.196 1.00 0.00 C ATOM 72 O PRO A 5 8.111 4.809 0.860 1.00 0.00 O ATOM 73 CB PRO A 5 5.953 4.473 -1.928 1.00 0.00 C ATOM 74 CG PRO A 5 6.340 3.046 -2.128 1.00 0.00 C ATOM 75 CD PRO A 5 7.817 3.034 -2.423 1.00 0.00 C ATOM 0 HA PRO A 5 7.295 6.177 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.099 4.561 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.667 4.941 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.119 2.457 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.778 2.604 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.303 2.154 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.011 3.022 -3.495 1.00 0.00 H new ATOM 83 N ALA A 6 6.020 5.464 0.756 1.00 0.00 N ATOM 84 CA ALA A 6 5.894 5.469 2.235 1.00 0.00 C ATOM 85 C ALA A 6 4.860 4.429 2.670 1.00 0.00 C ATOM 86 O ALA A 6 4.849 3.979 3.798 1.00 0.00 O ATOM 87 CB ALA A 6 5.426 6.881 2.592 1.00 0.00 C ATOM 0 H ALA A 6 5.178 5.739 0.249 1.00 0.00 H new ATOM 0 HA ALA A 6 6.830 5.219 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.309 6.963 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.164 7.606 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.470 7.081 2.108 1.00 0.00 H new ATOM 93 N ILE A 7 3.987 4.051 1.778 1.00 0.00 N ATOM 94 CA ILE A 7 2.943 3.042 2.127 1.00 0.00 C ATOM 95 C ILE A 7 3.586 1.752 2.653 1.00 0.00 C ATOM 96 O ILE A 7 3.146 1.187 3.633 1.00 0.00 O ATOM 97 CB ILE A 7 2.161 2.778 0.827 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.454 1.422 0.909 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.107 2.767 -0.378 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.647 1.343 2.203 1.00 0.00 C ATOM 0 H ILE A 7 3.950 4.397 0.819 1.00 0.00 H new ATOM 0 HA ILE A 7 2.286 3.404 2.918 1.00 0.00 H new ATOM 0 HB ILE A 7 1.428 3.575 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.796 1.291 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.187 0.616 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.536 2.579 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.607 3.732 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.852 1.982 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.144 0.377 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.316 1.455 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.096 2.140 2.218 1.00 0.00 H new ATOM 112 N TYR A 8 4.611 1.277 2.006 1.00 0.00 N ATOM 113 CA TYR A 8 5.266 0.019 2.467 1.00 0.00 C ATOM 114 C TYR A 8 5.705 0.140 3.927 1.00 0.00 C ATOM 115 O TYR A 8 5.846 -0.846 4.624 1.00 0.00 O ATOM 116 CB TYR A 8 6.474 -0.160 1.549 1.00 0.00 C ATOM 117 CG TYR A 8 5.995 -0.320 0.127 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.830 -1.049 -0.141 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.709 0.267 -0.922 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.381 -1.192 -1.458 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.258 0.127 -2.240 1.00 0.00 C ATOM 122 CZ TYR A 8 5.095 -0.603 -2.508 1.00 0.00 C ATOM 123 OH TYR A 8 4.650 -0.742 -3.807 1.00 0.00 O ATOM 0 H TYR A 8 5.025 1.704 1.177 1.00 0.00 H new ATOM 0 HA TYR A 8 4.590 -0.834 2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.137 0.702 1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.050 -1.034 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.278 -1.501 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.608 0.828 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.484 -1.757 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.808 0.583 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 8 5.259 -0.272 -4.414 1.00 0.00 H new ATOM 133 N ILE A 9 5.919 1.335 4.401 1.00 0.00 N ATOM 134 CA ILE A 9 6.342 1.496 5.821 1.00 0.00 C ATOM 135 C ILE A 9 5.264 0.942 6.751 1.00 0.00 C ATOM 136 O ILE A 9 4.103 1.286 6.648 1.00 0.00 O ATOM 137 CB ILE A 9 6.516 3.001 6.024 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.670 3.502 5.152 1.00 0.00 C ATOM 139 CG2 ILE A 9 6.829 3.283 7.495 1.00 0.00 C ATOM 140 CD1 ILE A 9 7.878 5.000 5.391 1.00 0.00 C ATOM 0 H ILE A 9 5.821 2.202 3.872 1.00 0.00 H new ATOM 0 HA ILE A 9 7.262 0.956 6.043 1.00 0.00 H new ATOM 0 HB ILE A 9 5.597 3.516 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.583 2.955 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.452 3.318 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.953 4.356 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.009 2.925 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.748 2.769 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.700 5.357 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.967 5.540 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.116 5.171 6.441 1.00 0.00 H new ATOM 152 N GLY A 10 5.636 0.075 7.651 1.00 0.00 N ATOM 153 CA GLY A 10 4.628 -0.513 8.573 1.00 0.00 C ATOM 154 C GLY A 10 3.513 -1.129 7.736 1.00 0.00 C ATOM 155 O GLY A 10 2.360 -1.139 8.120 1.00 0.00 O ATOM 0 H GLY A 10 6.593 -0.251 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.090 -1.270 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.226 0.254 9.235 1.00 0.00 H new ATOM 159 N ALA A 11 3.852 -1.636 6.582 1.00 0.00 N ATOM 160 CA ALA A 11 2.808 -2.245 5.702 1.00 0.00 C ATOM 161 C ALA A 11 3.012 -3.757 5.590 1.00 0.00 C ATOM 162 O ALA A 11 3.816 -4.338 6.290 1.00 0.00 O ATOM 163 CB ALA A 11 3.001 -1.580 4.341 1.00 0.00 C ATOM 0 H ALA A 11 4.801 -1.656 6.210 1.00 0.00 H new ATOM 0 HA ALA A 11 1.803 -2.092 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.269 -1.975 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.865 -0.503 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.006 -1.787 3.974 1.00 0.00 H new ATOM 169 N THR A 12 2.289 -4.398 4.710 1.00 0.00 N ATOM 170 CA THR A 12 2.446 -5.876 4.554 1.00 0.00 C ATOM 171 C THR A 12 2.246 -6.277 3.092 1.00 0.00 C ATOM 172 O THR A 12 1.149 -6.568 2.670 1.00 0.00 O ATOM 173 CB THR A 12 1.348 -6.491 5.426 1.00 0.00 C ATOM 174 OG1 THR A 12 1.675 -6.312 6.797 1.00 0.00 O ATOM 175 CG2 THR A 12 1.227 -7.986 5.118 1.00 0.00 C ATOM 0 H THR A 12 1.600 -3.966 4.095 1.00 0.00 H new ATOM 0 HA THR A 12 3.439 -6.215 4.848 1.00 0.00 H new ATOM 0 HB THR A 12 0.398 -6.000 5.213 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.971 -6.704 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.445 -8.423 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.974 -8.122 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.176 -8.479 5.329 1.00 0.00 H new ATOM 183 N VAL A 13 3.292 -6.300 2.316 1.00 0.00 N ATOM 184 CA VAL A 13 3.141 -6.690 0.883 1.00 0.00 C ATOM 185 C VAL A 13 3.144 -8.216 0.757 1.00 0.00 C ATOM 186 O VAL A 13 3.334 -8.926 1.723 1.00 0.00 O ATOM 187 CB VAL A 13 4.358 -6.089 0.174 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.573 -4.651 0.646 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.604 -6.917 0.501 1.00 0.00 C ATOM 0 H VAL A 13 4.241 -6.067 2.608 1.00 0.00 H new ATOM 0 HA VAL A 13 2.206 -6.333 0.451 1.00 0.00 H new ATOM 0 HB VAL A 13 4.184 -6.097 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.440 -4.227 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.690 -4.056 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.743 -4.643 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.469 -6.488 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.773 -6.911 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.458 -7.943 0.163 1.00 0.00 H new ATOM 199 N GLY A 14 2.939 -8.724 -0.427 1.00 0.00 N ATOM 200 CA GLY A 14 2.937 -10.203 -0.610 1.00 0.00 C ATOM 201 C GLY A 14 4.363 -10.676 -0.902 1.00 0.00 C ATOM 202 O GLY A 14 5.310 -9.937 -0.721 1.00 0.00 O ATOM 0 H GLY A 14 2.773 -8.180 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.555 -10.692 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.274 -10.479 -1.430 1.00 0.00 H new ATOM 206 N PRO A 15 4.466 -11.896 -1.351 1.00 0.00 N ATOM 207 CA PRO A 15 5.790 -12.476 -1.678 1.00 0.00 C ATOM 208 C PRO A 15 6.342 -11.844 -2.960 1.00 0.00 C ATOM 209 O PRO A 15 7.489 -11.448 -3.026 1.00 0.00 O ATOM 210 CB PRO A 15 5.492 -13.959 -1.881 1.00 0.00 C ATOM 211 CG PRO A 15 4.046 -14.016 -2.257 1.00 0.00 C ATOM 212 CD PRO A 15 3.371 -12.841 -1.597 1.00 0.00 C ATOM 0 HA PRO A 15 6.540 -12.303 -0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.120 -14.384 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.686 -14.528 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.927 -13.971 -3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.598 -14.953 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.606 -12.407 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.879 -13.133 -0.669 1.00 0.00 H new ATOM 220 N SER A 16 5.529 -11.741 -3.977 1.00 0.00 N ATOM 221 CA SER A 16 6.004 -11.131 -5.252 1.00 0.00 C ATOM 222 C SER A 16 6.385 -9.666 -5.024 1.00 0.00 C ATOM 223 O SER A 16 7.436 -9.216 -5.438 1.00 0.00 O ATOM 224 CB SER A 16 4.815 -11.234 -6.206 1.00 0.00 C ATOM 225 OG SER A 16 5.175 -12.042 -7.319 1.00 0.00 O ATOM 0 H SER A 16 4.558 -12.053 -3.980 1.00 0.00 H new ATOM 0 HA SER A 16 6.888 -11.632 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.957 -11.666 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.518 -10.241 -6.544 1.00 0.00 H new ATOM 0 HG SER A 16 4.414 -12.112 -7.932 1.00 0.00 H new ATOM 231 N VAL A 17 5.542 -8.917 -4.365 1.00 0.00 N ATOM 232 CA VAL A 17 5.864 -7.486 -4.113 1.00 0.00 C ATOM 233 C VAL A 17 7.163 -7.383 -3.316 1.00 0.00 C ATOM 234 O VAL A 17 8.077 -6.680 -3.690 1.00 0.00 O ATOM 235 CB VAL A 17 4.690 -6.945 -3.297 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.905 -5.455 -3.024 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.391 -7.133 -4.083 1.00 0.00 C ATOM 0 H VAL A 17 4.647 -9.235 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 17 6.004 -6.923 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 17 4.625 -7.485 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.069 -5.067 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.831 -5.317 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.969 -4.917 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.554 -6.747 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.456 -6.593 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.236 -8.193 -4.282 1.00 0.00 H new ATOM 247 N TRP A 18 7.252 -8.086 -2.223 1.00 0.00 N ATOM 248 CA TRP A 18 8.498 -8.033 -1.406 1.00 0.00 C ATOM 249 C TRP A 18 9.721 -8.125 -2.319 1.00 0.00 C ATOM 250 O TRP A 18 10.486 -7.189 -2.448 1.00 0.00 O ATOM 251 CB TRP A 18 8.422 -9.253 -0.491 1.00 0.00 C ATOM 252 CG TRP A 18 9.656 -9.324 0.351 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.830 -9.875 -0.036 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.861 -8.839 1.710 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.741 -9.759 0.997 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.191 -9.128 2.095 1.00 0.00 C ATOM 257 CE3 TRP A 18 9.030 -8.184 2.636 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.679 -8.779 3.356 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.518 -7.832 3.905 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.840 -8.129 4.264 1.00 0.00 C ATOM 0 H TRP A 18 6.518 -8.694 -1.859 1.00 0.00 H new ATOM 0 HA TRP A 18 8.587 -7.106 -0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.539 -9.189 0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.322 -10.161 -1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.024 -10.331 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.702 -10.098 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 18 8.010 -7.950 2.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.698 -9.010 3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.871 -7.329 4.609 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.209 -7.856 5.241 1.00 0.00 H new ATOM 271 N ALA A 19 9.910 -9.247 -2.953 1.00 0.00 N ATOM 272 CA ALA A 19 11.084 -9.405 -3.860 1.00 0.00 C ATOM 273 C ALA A 19 11.274 -8.144 -4.706 1.00 0.00 C ATOM 274 O ALA A 19 12.383 -7.703 -4.941 1.00 0.00 O ATOM 275 CB ALA A 19 10.742 -10.602 -4.748 1.00 0.00 C ATOM 0 H ALA A 19 9.303 -10.064 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 19 12.012 -9.559 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.560 -10.783 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.593 -11.485 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.829 -10.392 -5.306 1.00 0.00 H new ATOM 281 N TYR A 20 10.203 -7.560 -5.166 1.00 0.00 N ATOM 282 CA TYR A 20 10.323 -6.327 -5.997 1.00 0.00 C ATOM 283 C TYR A 20 10.966 -5.197 -5.185 1.00 0.00 C ATOM 284 O TYR A 20 12.048 -4.735 -5.491 1.00 0.00 O ATOM 285 CB TYR A 20 8.887 -5.964 -6.376 1.00 0.00 C ATOM 286 CG TYR A 20 8.901 -4.883 -7.430 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.996 -3.539 -7.053 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.819 -5.226 -8.785 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.009 -2.536 -8.030 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.832 -4.224 -9.763 1.00 0.00 C ATOM 291 CZ TYR A 20 8.928 -2.879 -9.385 1.00 0.00 C ATOM 292 OH TYR A 20 8.941 -1.891 -10.349 1.00 0.00 O ATOM 0 H TYR A 20 9.249 -7.882 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 20 10.951 -6.482 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.365 -6.845 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.343 -5.621 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.059 -3.275 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.746 -6.264 -9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.081 -1.499 -7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.768 -4.488 -10.808 1.00 0.00 H new ATOM 0 HH TYR A 20 8.878 -2.300 -11.237 1.00 0.00 H new ATOM 302 N LEU A 21 10.307 -4.750 -4.151 1.00 0.00 N ATOM 303 CA LEU A 21 10.875 -3.654 -3.318 1.00 0.00 C ATOM 304 C LEU A 21 12.368 -3.891 -3.080 1.00 0.00 C ATOM 305 O LEU A 21 13.188 -3.026 -3.316 1.00 0.00 O ATOM 306 CB LEU A 21 10.100 -3.727 -2.003 1.00 0.00 C ATOM 307 CG LEU A 21 10.183 -2.383 -1.279 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.619 -2.530 0.136 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.644 -1.935 -1.199 1.00 0.00 C ATOM 0 H LEU A 21 9.398 -5.098 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 21 10.784 -2.677 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.058 -3.982 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.509 -4.516 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 21 9.604 -1.640 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.678 -1.572 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.578 -2.849 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.198 -3.274 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.703 -0.977 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.223 -2.678 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.048 -1.830 -2.206 1.00 0.00 H new ATOM 321 N VAL A 22 12.728 -5.056 -2.615 1.00 0.00 N ATOM 322 CA VAL A 22 14.169 -5.344 -2.364 1.00 0.00 C ATOM 323 C VAL A 22 15.008 -4.922 -3.570 1.00 0.00 C ATOM 324 O VAL A 22 15.987 -4.214 -3.442 1.00 0.00 O ATOM 325 CB VAL A 22 14.243 -6.858 -2.165 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.707 -7.290 -2.069 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.514 -7.237 -0.873 1.00 0.00 C ATOM 0 H VAL A 22 12.088 -5.820 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 22 14.554 -4.801 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 22 13.772 -7.359 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.759 -8.369 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.227 -7.019 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.179 -6.790 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.566 -8.316 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.986 -6.735 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.470 -6.929 -0.940 1.00 0.00 H new ATOM 337 N ALA A 23 14.629 -5.351 -4.738 1.00 0.00 N ATOM 338 CA ALA A 23 15.398 -4.975 -5.958 1.00 0.00 C ATOM 339 C ALA A 23 15.607 -3.460 -5.999 1.00 0.00 C ATOM 340 O ALA A 23 16.695 -2.980 -6.247 1.00 0.00 O ATOM 341 CB ALA A 23 14.529 -5.431 -7.131 1.00 0.00 C ATOM 0 H ALA A 23 13.818 -5.947 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 23 16.386 -5.434 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.028 -5.189 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.372 -6.508 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.566 -4.922 -7.090 1.00 0.00 H new ATOM 347 N LEU A 24 14.572 -2.705 -5.755 1.00 0.00 N ATOM 348 CA LEU A 24 14.707 -1.222 -5.776 1.00 0.00 C ATOM 349 C LEU A 24 15.721 -0.773 -4.722 1.00 0.00 C ATOM 350 O LEU A 24 16.502 0.133 -4.941 1.00 0.00 O ATOM 351 CB LEU A 24 13.313 -0.700 -5.435 1.00 0.00 C ATOM 352 CG LEU A 24 13.101 0.663 -6.095 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.340 0.546 -7.601 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.666 1.132 -5.842 1.00 0.00 C ATOM 0 H LEU A 24 13.637 -3.052 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 24 15.060 -0.848 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.556 -1.404 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.200 -0.614 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 24 13.801 1.384 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.189 1.518 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.361 0.211 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.641 -0.174 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.513 2.104 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.967 0.410 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.495 1.217 -4.769 1.00 0.00 H new ATOM 366 N VAL A 25 15.715 -1.401 -3.579 1.00 0.00 N ATOM 367 CA VAL A 25 16.677 -1.015 -2.506 1.00 0.00 C ATOM 368 C VAL A 25 17.452 -2.251 -2.021 1.00 0.00 C ATOM 369 O VAL A 25 18.507 -2.568 -2.533 1.00 0.00 O ATOM 370 CB VAL A 25 15.817 -0.407 -1.383 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.487 -1.158 -1.262 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.567 -0.487 -0.050 1.00 0.00 C ATOM 0 H VAL A 25 15.085 -2.166 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 25 17.424 -0.302 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 25 15.616 0.636 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.891 -0.716 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.942 -1.087 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.680 -2.206 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.952 -0.055 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.780 -1.530 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.503 0.067 -0.125 1.00 0.00 H new ATOM 382 N GLY A 26 16.945 -2.949 -1.040 1.00 0.00 N ATOM 383 CA GLY A 26 17.662 -4.153 -0.534 1.00 0.00 C ATOM 384 C GLY A 26 16.946 -4.687 0.707 1.00 0.00 C ATOM 385 O GLY A 26 16.045 -4.065 1.233 1.00 0.00 O ATOM 0 H GLY A 26 16.066 -2.737 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.696 -4.921 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.694 -3.900 -0.291 1.00 0.00 H new ATOM 389 N ALA A 27 17.337 -5.840 1.178 1.00 0.00 N ATOM 390 CA ALA A 27 16.677 -6.417 2.380 1.00 0.00 C ATOM 391 C ALA A 27 16.941 -5.546 3.611 1.00 0.00 C ATOM 392 O ALA A 27 16.237 -5.625 4.599 1.00 0.00 O ATOM 393 CB ALA A 27 17.310 -7.797 2.555 1.00 0.00 C ATOM 0 H ALA A 27 18.086 -6.407 0.781 1.00 0.00 H new ATOM 0 HA ALA A 27 15.595 -6.474 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.875 -8.289 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.123 -8.399 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.385 -7.689 2.700 1.00 0.00 H new ATOM 399 N ALA A 28 17.945 -4.716 3.565 1.00 0.00 N ATOM 400 CA ALA A 28 18.243 -3.849 4.735 1.00 0.00 C ATOM 401 C ALA A 28 17.182 -2.757 4.858 1.00 0.00 C ATOM 402 O ALA A 28 16.448 -2.697 5.823 1.00 0.00 O ATOM 403 CB ALA A 28 19.615 -3.240 4.444 1.00 0.00 C ATOM 0 H ALA A 28 18.571 -4.602 2.768 1.00 0.00 H new ATOM 0 HA ALA A 28 18.241 -4.403 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.904 -2.585 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.352 -4.036 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.569 -2.663 3.520 1.00 0.00 H new ATOM 409 N ALA A 29 17.087 -1.898 3.882 1.00 0.00 N ATOM 410 CA ALA A 29 16.060 -0.821 3.946 1.00 0.00 C ATOM 411 C ALA A 29 14.667 -1.451 3.958 1.00 0.00 C ATOM 412 O ALA A 29 13.705 -0.851 4.393 1.00 0.00 O ATOM 413 CB ALA A 29 16.265 0.009 2.680 1.00 0.00 C ATOM 0 H ALA A 29 17.673 -1.894 3.047 1.00 0.00 H new ATOM 0 HA ALA A 29 16.151 -0.207 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.541 0.824 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.275 0.420 2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.126 -0.624 1.804 1.00 0.00 H new ATOM 419 N VAL A 30 14.559 -2.662 3.484 1.00 0.00 N ATOM 420 CA VAL A 30 13.234 -3.339 3.467 1.00 0.00 C ATOM 421 C VAL A 30 12.850 -3.771 4.886 1.00 0.00 C ATOM 422 O VAL A 30 11.693 -3.771 5.253 1.00 0.00 O ATOM 423 CB VAL A 30 13.422 -4.558 2.566 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.271 -5.541 2.785 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.437 -4.111 1.102 1.00 0.00 C ATOM 0 H VAL A 30 15.332 -3.211 3.108 1.00 0.00 H new ATOM 0 HA VAL A 30 12.439 -2.687 3.105 1.00 0.00 H new ATOM 0 HB VAL A 30 14.366 -5.046 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.407 -6.410 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.258 -5.860 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.326 -5.055 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.571 -4.980 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.493 -3.623 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.258 -3.412 0.944 1.00 0.00 H new ATOM 435 N THR A 31 13.816 -4.135 5.688 1.00 0.00 N ATOM 436 CA THR A 31 13.502 -4.562 7.081 1.00 0.00 C ATOM 437 C THR A 31 13.417 -3.339 7.997 1.00 0.00 C ATOM 438 O THR A 31 12.729 -3.347 8.998 1.00 0.00 O ATOM 439 CB THR A 31 14.667 -5.462 7.494 1.00 0.00 C ATOM 440 OG1 THR A 31 14.921 -6.406 6.462 1.00 0.00 O ATOM 441 CG2 THR A 31 14.313 -6.199 8.786 1.00 0.00 C ATOM 0 H THR A 31 14.805 -4.155 5.439 1.00 0.00 H new ATOM 0 HA THR A 31 12.546 -5.080 7.150 1.00 0.00 H new ATOM 0 HB THR A 31 15.556 -4.854 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.704 -6.123 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.145 -6.840 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.118 -5.474 9.576 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.424 -6.809 8.625 1.00 0.00 H new ATOM 449 N ALA A 32 14.108 -2.285 7.659 1.00 0.00 N ATOM 450 CA ALA A 32 14.064 -1.060 8.508 1.00 0.00 C ATOM 451 C ALA A 32 12.767 -0.290 8.247 1.00 0.00 C ATOM 452 O ALA A 32 12.282 0.434 9.093 1.00 0.00 O ATOM 453 CB ALA A 32 15.277 -0.234 8.075 1.00 0.00 C ATOM 0 H ALA A 32 14.701 -2.219 6.832 1.00 0.00 H new ATOM 0 HA ALA A 32 14.090 -1.290 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.316 0.688 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.188 -0.808 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.193 0.008 7.016 1.00 0.00 H new ATOM 459 N ALA A 33 12.201 -0.446 7.082 1.00 0.00 N ATOM 460 CA ALA A 33 10.933 0.272 6.764 1.00 0.00 C ATOM 461 C ALA A 33 9.740 -0.483 7.357 1.00 0.00 C ATOM 462 O ALA A 33 8.601 -0.106 7.172 1.00 0.00 O ATOM 463 CB ALA A 33 10.857 0.284 5.238 1.00 0.00 C ATOM 0 H ALA A 33 12.562 -1.040 6.335 1.00 0.00 H new ATOM 0 HA ALA A 33 10.911 1.280 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.948 0.797 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.726 0.804 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.843 -0.741 4.866 1.00 0.00 H new ATOM 469 N ASN A 34 9.993 -1.545 8.071 1.00 0.00 N ATOM 470 CA ASN A 34 8.876 -2.324 8.680 1.00 0.00 C ATOM 471 C ASN A 34 7.913 -2.825 7.595 1.00 0.00 C ATOM 472 O ASN A 34 6.839 -2.282 7.390 1.00 0.00 O ATOM 473 CB ASN A 34 8.177 -1.346 9.626 1.00 0.00 C ATOM 474 CG ASN A 34 7.031 -2.056 10.353 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.195 -1.414 10.958 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.954 -3.360 10.326 1.00 0.00 N ATOM 0 H ASN A 34 10.927 -1.908 8.260 1.00 0.00 H new ATOM 0 HA ASN A 34 9.232 -3.209 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.891 -0.953 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.792 -0.495 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.194 -3.836 10.812 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.654 -3.902 9.819 1.00 0.00 H new ATOM 483 N ILE A 35 8.292 -3.868 6.906 1.00 0.00 N ATOM 484 CA ILE A 35 7.413 -4.430 5.841 1.00 0.00 C ATOM 485 C ILE A 35 7.095 -5.893 6.160 1.00 0.00 C ATOM 486 O ILE A 35 7.940 -6.631 6.628 1.00 0.00 O ATOM 487 CB ILE A 35 8.230 -4.325 4.552 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.311 -2.860 4.118 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.555 -5.145 3.451 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.778 -2.433 4.032 1.00 0.00 C ATOM 0 H ILE A 35 9.178 -4.357 7.036 1.00 0.00 H new ATOM 0 HA ILE A 35 6.463 -3.901 5.758 1.00 0.00 H new ATOM 0 HB ILE A 35 9.235 -4.709 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.826 -2.729 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.779 -2.229 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.137 -5.070 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.496 -6.189 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.550 -4.761 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.836 -1.389 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.248 -2.549 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.296 -3.056 3.303 1.00 0.00 H new ATOM 502 N ARG A 36 5.887 -6.321 5.920 1.00 0.00 N ATOM 503 CA ARG A 36 5.529 -7.737 6.226 1.00 0.00 C ATOM 504 C ARG A 36 5.139 -8.482 4.946 1.00 0.00 C ATOM 505 O ARG A 36 4.686 -7.894 3.984 1.00 0.00 O ATOM 506 CB ARG A 36 4.336 -7.646 7.175 1.00 0.00 C ATOM 507 CG ARG A 36 4.834 -7.415 8.603 1.00 0.00 C ATOM 508 CD ARG A 36 3.907 -8.128 9.590 1.00 0.00 C ATOM 509 NE ARG A 36 4.809 -8.665 10.646 1.00 0.00 N ATOM 510 CZ ARG A 36 4.313 -9.345 11.643 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.183 -8.980 12.183 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.948 -10.390 12.100 1.00 0.00 N ATOM 0 H ARG A 36 5.134 -5.756 5.527 1.00 0.00 H new ATOM 0 HA ARG A 36 6.363 -8.284 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.678 -6.831 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.749 -8.564 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.852 -7.789 8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.862 -6.347 8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.173 -7.440 10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.351 -8.928 9.102 1.00 0.00 H new ATOM 0 HE ARG A 36 5.814 -8.501 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.687 -8.163 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.795 -9.511 12.962 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.832 -10.675 11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.560 -10.922 12.879 1.00 0.00 H new ATOM 526 N ARG A 37 5.308 -9.776 4.934 1.00 0.00 N ATOM 527 CA ARG A 37 4.945 -10.569 3.725 1.00 0.00 C ATOM 528 C ARG A 37 3.697 -11.409 4.006 1.00 0.00 C ATOM 529 O ARG A 37 3.585 -12.045 5.036 1.00 0.00 O ATOM 530 CB ARG A 37 6.152 -11.471 3.464 1.00 0.00 C ATOM 531 CG ARG A 37 7.201 -10.701 2.660 1.00 0.00 C ATOM 532 CD ARG A 37 8.538 -11.442 2.717 1.00 0.00 C ATOM 533 NE ARG A 37 8.199 -12.870 2.468 1.00 0.00 N ATOM 534 CZ ARG A 37 8.454 -13.771 3.377 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.651 -13.856 3.893 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.515 -14.585 3.772 1.00 0.00 N ATOM 0 H ARG A 37 5.683 -10.320 5.711 1.00 0.00 H new ATOM 0 HA ARG A 37 4.719 -9.937 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.578 -11.808 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.842 -12.362 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.876 -10.596 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.315 -9.694 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.231 -11.064 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.019 -11.314 3.687 1.00 0.00 H new ATOM 0 HE ARG A 37 7.767 -13.145 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.385 -13.218 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.851 -14.560 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.580 -14.518 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.716 -15.289 4.483 1.00 0.00 H new ATOM 550 N ALA A 38 2.758 -11.414 3.102 1.00 0.00 N ATOM 551 CA ALA A 38 1.517 -12.210 3.324 1.00 0.00 C ATOM 552 C ALA A 38 1.485 -13.419 2.384 1.00 0.00 C ATOM 553 O ALA A 38 2.328 -13.569 1.521 1.00 0.00 O ATOM 554 CB ALA A 38 0.373 -11.249 3.005 1.00 0.00 C ATOM 0 H ALA A 38 2.795 -10.903 2.220 1.00 0.00 H new ATOM 0 HA ALA A 38 1.452 -12.601 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.580 -11.759 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.425 -10.388 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.457 -10.913 1.971 1.00 0.00 H new ATOM 560 N SER A 39 0.519 -14.281 2.545 1.00 0.00 N ATOM 561 CA SER A 39 0.434 -15.481 1.661 1.00 0.00 C ATOM 562 C SER A 39 0.550 -15.069 0.191 1.00 0.00 C ATOM 563 O SER A 39 0.992 -15.832 -0.644 1.00 0.00 O ATOM 564 CB SER A 39 -0.942 -16.084 1.942 1.00 0.00 C ATOM 565 OG SER A 39 -1.945 -15.119 1.654 1.00 0.00 O ATOM 0 H SER A 39 -0.215 -14.208 3.249 1.00 0.00 H new ATOM 0 HA SER A 39 1.238 -16.191 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.093 -16.975 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.009 -16.396 2.984 1.00 0.00 H new ATOM 0 HG SER A 39 -2.829 -15.503 1.831 1.00 0.00 H new ATOM 571 N SER A 40 0.157 -13.868 -0.132 1.00 0.00 N ATOM 572 CA SER A 40 0.246 -13.412 -1.550 1.00 0.00 C ATOM 573 C SER A 40 0.024 -11.901 -1.638 1.00 0.00 C ATOM 574 O SER A 40 0.057 -11.198 -0.647 1.00 0.00 O ATOM 575 CB SER A 40 -0.871 -14.158 -2.278 1.00 0.00 C ATOM 576 OG SER A 40 -0.519 -15.530 -2.399 1.00 0.00 O ATOM 0 H SER A 40 -0.221 -13.183 0.522 1.00 0.00 H new ATOM 0 HA SER A 40 1.225 -13.615 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.808 -14.058 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.031 -13.723 -3.265 1.00 0.00 H new ATOM 0 HG SER A 40 0.397 -15.662 -2.077 1.00 0.00 H new ATOM 582 N ASP A 41 -0.205 -11.396 -2.820 1.00 0.00 N ATOM 583 CA ASP A 41 -0.431 -9.931 -2.976 1.00 0.00 C ATOM 584 C ASP A 41 -1.730 -9.521 -2.279 1.00 0.00 C ATOM 585 O ASP A 41 -2.020 -8.352 -2.125 1.00 0.00 O ATOM 586 CB ASP A 41 -0.539 -9.707 -4.485 1.00 0.00 C ATOM 587 CG ASP A 41 0.845 -9.835 -5.122 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.820 -9.775 -4.391 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.907 -9.991 -6.331 1.00 0.00 O ATOM 0 H ASP A 41 -0.245 -11.935 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 41 0.369 -9.339 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.221 -10.436 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.954 -8.720 -4.688 1.00 0.00 H new ATOM 594 N ASN A 42 -2.516 -10.475 -1.860 1.00 0.00 N ATOM 595 CA ASN A 42 -3.798 -10.137 -1.176 1.00 0.00 C ATOM 596 C ASN A 42 -3.613 -10.171 0.345 1.00 0.00 C ATOM 597 O ASN A 42 -3.523 -11.225 0.944 1.00 0.00 O ATOM 598 CB ASN A 42 -4.779 -11.221 -1.621 1.00 0.00 C ATOM 599 CG ASN A 42 -5.755 -10.637 -2.644 1.00 0.00 C ATOM 600 OD1 ASN A 42 -5.700 -9.463 -2.952 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.654 -11.412 -3.187 1.00 0.00 N ATOM 0 H ASN A 42 -2.327 -11.472 -1.961 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.151 -9.137 -1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.237 -12.060 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.325 -11.607 -0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.310 -11.032 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.701 -12.398 -2.929 1.00 0.00 H new ATOM 608 N HIS A 43 -3.559 -9.029 0.976 1.00 0.00 N ATOM 609 CA HIS A 43 -3.383 -9.004 2.458 1.00 0.00 C ATOM 610 C HIS A 43 -4.143 -7.829 3.071 1.00 0.00 C ATOM 611 O HIS A 43 -4.781 -7.057 2.380 1.00 0.00 O ATOM 612 CB HIS A 43 -1.878 -8.835 2.691 1.00 0.00 C ATOM 613 CG HIS A 43 -1.301 -7.854 1.702 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.155 -6.502 1.988 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.805 -8.025 0.436 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.584 -5.920 0.913 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.354 -6.805 -0.060 1.00 0.00 N ATOM 0 H HIS A 43 -3.629 -8.114 0.531 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.769 -9.912 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.698 -8.485 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.378 -9.798 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.769 -8.964 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.343 -4.869 0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.064 -6.625 -0.973 1.00 0.00 H new ATOM 625 N SER A 44 -4.073 -7.685 4.364 1.00 0.00 N ATOM 626 CA SER A 44 -4.781 -6.558 5.031 1.00 0.00 C ATOM 627 C SER A 44 -3.841 -5.358 5.141 1.00 0.00 C ATOM 628 O SER A 44 -2.644 -5.509 5.275 1.00 0.00 O ATOM 629 CB SER A 44 -5.144 -7.079 6.419 1.00 0.00 C ATOM 630 OG SER A 44 -6.526 -6.854 6.659 1.00 0.00 O ATOM 0 H SER A 44 -3.554 -8.301 4.990 1.00 0.00 H new ATOM 0 HA SER A 44 -5.663 -6.234 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.919 -8.143 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.545 -6.575 7.177 1.00 0.00 H new ATOM 0 HG SER A 44 -7.053 -7.544 6.205 1.00 0.00 H new ATOM 636 N CYS A 45 -4.366 -4.168 5.087 1.00 0.00 N ATOM 637 CA CYS A 45 -3.485 -2.974 5.191 1.00 0.00 C ATOM 638 C CYS A 45 -4.157 -1.880 6.021 1.00 0.00 C ATOM 639 O CYS A 45 -5.244 -2.054 6.547 1.00 0.00 O ATOM 640 CB CYS A 45 -3.275 -2.503 3.756 1.00 0.00 C ATOM 641 SG CYS A 45 -4.875 -2.329 2.931 1.00 0.00 S ATOM 0 H CYS A 45 -5.361 -3.971 4.976 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.542 -3.208 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.746 -1.550 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.652 -3.217 3.216 1.00 0.00 H new ATOM 646 N ALA A 46 -3.511 -0.755 6.145 1.00 0.00 N ATOM 647 CA ALA A 46 -4.098 0.354 6.949 1.00 0.00 C ATOM 648 C ALA A 46 -4.640 -0.208 8.264 1.00 0.00 C ATOM 649 O ALA A 46 -5.724 0.127 8.697 1.00 0.00 O ATOM 650 CB ALA A 46 -5.234 0.912 6.091 1.00 0.00 C ATOM 0 H ALA A 46 -2.603 -0.555 5.725 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.370 1.126 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.717 1.735 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.832 1.273 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.965 0.126 5.899 1.00 0.00 H new ATOM 656 N GLY A 47 -3.893 -1.074 8.894 1.00 0.00 N ATOM 657 CA GLY A 47 -4.365 -1.674 10.173 1.00 0.00 C ATOM 658 C GLY A 47 -5.465 -2.688 9.864 1.00 0.00 C ATOM 659 O GLY A 47 -5.598 -3.150 8.748 1.00 0.00 O ATOM 0 H GLY A 47 -2.977 -1.391 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.538 -2.160 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.743 -0.897 10.837 1.00 0.00 H new ATOM 663 N ASN A 48 -6.259 -3.040 10.836 1.00 0.00 N ATOM 664 CA ASN A 48 -7.348 -4.020 10.582 1.00 0.00 C ATOM 665 C ASN A 48 -8.576 -3.306 10.008 1.00 0.00 C ATOM 666 O ASN A 48 -9.698 -3.587 10.381 1.00 0.00 O ATOM 667 CB ASN A 48 -7.668 -4.624 11.950 1.00 0.00 C ATOM 668 CG ASN A 48 -8.411 -3.594 12.802 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.942 -2.490 12.988 1.00 0.00 O ATOM 670 ND2 ASN A 48 -9.561 -3.912 13.333 1.00 0.00 N ATOM 0 H ASN A 48 -6.200 -2.692 11.793 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.057 -4.783 9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.277 -5.520 11.830 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.748 -4.929 12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.065 -3.233 13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.956 -4.840 13.177 1.00 0.00 H new ATOM 677 N ARG A 49 -8.374 -2.377 9.112 1.00 0.00 N ATOM 678 CA ARG A 49 -9.528 -1.642 8.531 1.00 0.00 C ATOM 679 C ARG A 49 -9.602 -1.848 7.016 1.00 0.00 C ATOM 680 O ARG A 49 -10.670 -1.838 6.434 1.00 0.00 O ATOM 681 CB ARG A 49 -9.247 -0.177 8.853 1.00 0.00 C ATOM 682 CG ARG A 49 -9.649 0.109 10.300 1.00 0.00 C ATOM 683 CD ARG A 49 -10.673 1.245 10.330 1.00 0.00 C ATOM 684 NE ARG A 49 -11.748 0.771 11.245 1.00 0.00 N ATOM 685 CZ ARG A 49 -12.991 0.773 10.847 1.00 0.00 C ATOM 686 NH1 ARG A 49 -13.730 1.835 11.017 1.00 0.00 N ATOM 687 NH2 ARG A 49 -13.495 -0.289 10.279 1.00 0.00 N ATOM 0 H ARG A 49 -7.459 -2.097 8.759 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.479 -1.987 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.189 0.043 8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.803 0.470 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.071 -0.787 10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.771 0.381 10.886 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.225 2.170 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.065 1.450 9.334 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.513 0.445 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.336 2.664 11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.701 1.836 10.706 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.917 -1.119 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.466 -0.288 9.968 1.00 0.00 H new ATOM 701 N GLY A 50 -8.485 -2.025 6.365 1.00 0.00 N ATOM 702 CA GLY A 50 -8.523 -2.217 4.888 1.00 0.00 C ATOM 703 C GLY A 50 -8.069 -3.632 4.527 1.00 0.00 C ATOM 704 O GLY A 50 -7.394 -4.296 5.288 1.00 0.00 O ATOM 0 H GLY A 50 -7.557 -2.045 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.534 -2.046 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.878 -1.485 4.402 1.00 0.00 H new ATOM 708 N TRP A 51 -8.439 -4.095 3.364 1.00 0.00 N ATOM 709 CA TRP A 51 -8.039 -5.463 2.928 1.00 0.00 C ATOM 710 C TRP A 51 -7.675 -5.431 1.441 1.00 0.00 C ATOM 711 O TRP A 51 -7.918 -4.454 0.764 1.00 0.00 O ATOM 712 CB TRP A 51 -9.279 -6.328 3.158 1.00 0.00 C ATOM 713 CG TRP A 51 -9.115 -7.128 4.411 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.965 -7.106 5.463 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.055 -8.065 4.760 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.496 -7.971 6.435 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.321 -8.586 6.049 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.902 -8.508 4.091 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.473 -9.515 6.652 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.045 -9.443 4.695 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.329 -9.945 5.972 1.00 0.00 C ATOM 0 H TRP A 51 -9.006 -3.579 2.691 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.175 -5.846 3.470 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.165 -5.697 3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.432 -6.994 2.308 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.863 -6.510 5.533 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.961 -8.135 7.328 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.673 -8.128 3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.698 -9.899 7.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.161 -9.777 4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.665 -10.663 6.431 1.00 0.00 H new ATOM 732 N CYS A 52 -7.093 -6.477 0.920 1.00 0.00 N ATOM 733 CA CYS A 52 -6.723 -6.466 -0.527 1.00 0.00 C ATOM 734 C CYS A 52 -7.567 -7.472 -1.314 1.00 0.00 C ATOM 735 O CYS A 52 -7.485 -8.667 -1.107 1.00 0.00 O ATOM 736 CB CYS A 52 -5.251 -6.867 -0.562 1.00 0.00 C ATOM 737 SG CYS A 52 -4.493 -6.259 -2.091 1.00 0.00 S ATOM 0 H CYS A 52 -6.859 -7.331 1.426 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.897 -5.491 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.731 -6.455 0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.157 -7.951 -0.504 1.00 0.00 H new ATOM 742 N ARG A 53 -8.371 -6.994 -2.225 1.00 0.00 N ATOM 743 CA ARG A 53 -9.216 -7.911 -3.046 1.00 0.00 C ATOM 744 C ARG A 53 -9.094 -7.524 -4.521 1.00 0.00 C ATOM 745 O ARG A 53 -8.698 -6.423 -4.848 1.00 0.00 O ATOM 746 CB ARG A 53 -10.659 -7.691 -2.575 1.00 0.00 C ATOM 747 CG ARG A 53 -10.711 -7.499 -1.060 1.00 0.00 C ATOM 748 CD ARG A 53 -11.103 -6.054 -0.761 1.00 0.00 C ATOM 749 NE ARG A 53 -10.859 -5.879 0.696 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.851 -5.974 1.538 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.203 -7.141 2.003 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.490 -4.900 1.916 1.00 0.00 N ATOM 0 H ARG A 53 -8.480 -6.002 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.912 -8.952 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.079 -6.817 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.274 -8.545 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.433 -8.185 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.741 -7.727 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.507 -5.355 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.148 -5.869 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.917 -5.685 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.703 -7.980 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.979 -7.215 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.214 -3.988 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.266 -4.973 2.574 1.00 0.00 H new ATOM 766 N SER A 54 -9.445 -8.405 -5.417 1.00 0.00 N ATOM 767 CA SER A 54 -9.356 -8.051 -6.861 1.00 0.00 C ATOM 768 C SER A 54 -10.104 -6.737 -7.095 1.00 0.00 C ATOM 769 O SER A 54 -9.619 -5.835 -7.747 1.00 0.00 O ATOM 770 CB SER A 54 -10.032 -9.209 -7.599 1.00 0.00 C ATOM 771 OG SER A 54 -11.142 -8.717 -8.339 1.00 0.00 O ATOM 0 H SER A 54 -9.786 -9.345 -5.215 1.00 0.00 H new ATOM 0 HA SER A 54 -8.332 -7.911 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.320 -9.692 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.363 -9.965 -6.886 1.00 0.00 H new ATOM 0 HG SER A 54 -11.574 -9.458 -8.813 1.00 0.00 H new ATOM 777 N LYS A 55 -11.280 -6.630 -6.548 1.00 0.00 N ATOM 778 CA LYS A 55 -12.081 -5.390 -6.701 1.00 0.00 C ATOM 779 C LYS A 55 -12.680 -5.014 -5.336 1.00 0.00 C ATOM 780 O LYS A 55 -12.732 -5.826 -4.433 1.00 0.00 O ATOM 781 CB LYS A 55 -13.164 -5.769 -7.725 1.00 0.00 C ATOM 782 CG LYS A 55 -14.537 -5.255 -7.283 1.00 0.00 C ATOM 783 CD LYS A 55 -15.587 -5.621 -8.333 1.00 0.00 C ATOM 784 CE LYS A 55 -15.979 -4.368 -9.121 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.824 -4.865 -10.242 1.00 0.00 N ATOM 0 H LYS A 55 -11.725 -7.361 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.509 -4.525 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.911 -5.351 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.197 -6.852 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.805 -5.689 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.505 -4.174 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.192 -6.380 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.465 -6.050 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.528 -3.664 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.098 -3.844 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.131 -4.062 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.273 -5.528 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.658 -5.353 -9.858 1.00 0.00 H new ATOM 799 N CYS A 56 -13.132 -3.801 -5.174 1.00 0.00 N ATOM 800 CA CYS A 56 -13.721 -3.402 -3.860 1.00 0.00 C ATOM 801 C CYS A 56 -15.248 -3.358 -3.955 1.00 0.00 C ATOM 802 O CYS A 56 -15.817 -3.450 -5.025 1.00 0.00 O ATOM 803 CB CYS A 56 -13.162 -2.009 -3.564 1.00 0.00 C ATOM 804 SG CYS A 56 -11.384 -1.978 -3.904 1.00 0.00 S ATOM 0 H CYS A 56 -13.120 -3.072 -5.887 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.470 -4.111 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.672 -1.265 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.347 -1.746 -2.522 1.00 0.00 H new ATOM 809 N PHE A 57 -15.917 -3.217 -2.843 1.00 0.00 N ATOM 810 CA PHE A 57 -17.407 -3.168 -2.868 1.00 0.00 C ATOM 811 C PHE A 57 -17.885 -1.731 -3.093 1.00 0.00 C ATOM 812 O PHE A 57 -17.095 -0.820 -3.242 1.00 0.00 O ATOM 813 CB PHE A 57 -17.839 -3.661 -1.488 1.00 0.00 C ATOM 814 CG PHE A 57 -17.638 -5.155 -1.397 1.00 0.00 C ATOM 815 CD1 PHE A 57 -16.344 -5.689 -1.402 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.746 -6.006 -1.304 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.158 -7.074 -1.315 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.560 -7.390 -1.218 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.266 -7.925 -1.223 1.00 0.00 C ATOM 0 H PHE A 57 -15.496 -3.134 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.827 -3.774 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.260 -3.158 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.886 -3.414 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.489 -5.033 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -19.744 -5.594 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.160 -7.486 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.415 -8.046 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.123 -8.993 -1.156 1.00 0.00 H new ATOM 829 N ARG A 58 -19.173 -1.523 -3.117 1.00 0.00 N ATOM 830 CA ARG A 58 -19.703 -0.150 -3.329 1.00 0.00 C ATOM 831 C ARG A 58 -19.538 0.677 -2.054 1.00 0.00 C ATOM 832 O ARG A 58 -19.219 1.849 -2.097 1.00 0.00 O ATOM 833 CB ARG A 58 -21.182 -0.340 -3.661 1.00 0.00 C ATOM 834 CG ARG A 58 -21.641 0.768 -4.614 1.00 0.00 C ATOM 835 CD ARG A 58 -22.881 0.302 -5.380 1.00 0.00 C ATOM 836 NE ARG A 58 -24.015 0.502 -4.436 1.00 0.00 N ATOM 837 CZ ARG A 58 -25.209 0.764 -4.896 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.574 0.306 -6.062 1.00 0.00 N ATOM 839 NH2 ARG A 58 -26.036 1.486 -4.190 1.00 0.00 N ATOM 0 H ARG A 58 -19.881 -2.247 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.176 0.380 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.340 -1.316 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.776 -0.317 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.867 1.675 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.841 1.016 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.021 0.880 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.793 -0.744 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.859 0.434 -3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.927 -0.257 -6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -26.506 0.511 -6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.750 1.845 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.969 1.691 -4.549 1.00 0.00 H new ATOM 853 N HIS A 59 -19.744 0.070 -0.918 1.00 0.00 N ATOM 854 CA HIS A 59 -19.591 0.816 0.362 1.00 0.00 C ATOM 855 C HIS A 59 -18.106 1.033 0.664 1.00 0.00 C ATOM 856 O HIS A 59 -17.743 1.606 1.672 1.00 0.00 O ATOM 857 CB HIS A 59 -20.228 -0.085 1.422 1.00 0.00 C ATOM 858 CG HIS A 59 -21.153 0.728 2.284 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.040 2.105 2.397 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.212 0.372 3.082 1.00 0.00 C ATOM 861 CE1 HIS A 59 -22.007 2.523 3.235 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.751 1.507 3.681 1.00 0.00 N ATOM 0 H HIS A 59 -20.011 -0.910 -0.821 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.059 1.800 0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.779 -0.894 0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.454 -0.546 2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.572 -0.636 3.224 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.163 3.555 3.513 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.543 1.553 4.322 1.00 0.00 H new ATOM 870 N GLU A 60 -17.241 0.573 -0.202 1.00 0.00 N ATOM 871 CA GLU A 60 -15.782 0.746 0.033 1.00 0.00 C ATOM 872 C GLU A 60 -15.104 1.274 -1.234 1.00 0.00 C ATOM 873 O GLU A 60 -15.734 1.449 -2.258 1.00 0.00 O ATOM 874 CB GLU A 60 -15.279 -0.657 0.362 1.00 0.00 C ATOM 875 CG GLU A 60 -15.386 -0.905 1.867 1.00 0.00 C ATOM 876 CD GLU A 60 -14.863 -2.305 2.194 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.079 -2.821 1.413 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.256 -2.838 3.218 1.00 0.00 O ATOM 0 H GLU A 60 -17.486 0.084 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.567 1.459 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.864 -1.400 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.244 -0.768 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.812 -0.155 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.423 -0.809 2.189 1.00 0.00 H new ATOM 885 N TYR A 61 -13.823 1.520 -1.178 1.00 0.00 N ATOM 886 CA TYR A 61 -13.112 2.025 -2.386 1.00 0.00 C ATOM 887 C TYR A 61 -11.752 1.344 -2.525 1.00 0.00 C ATOM 888 O TYR A 61 -11.452 0.385 -1.843 1.00 0.00 O ATOM 889 CB TYR A 61 -12.925 3.525 -2.158 1.00 0.00 C ATOM 890 CG TYR A 61 -12.030 3.754 -0.962 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.487 3.449 0.325 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.741 4.275 -1.142 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.658 3.664 1.433 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.913 4.491 -0.034 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.371 4.185 1.253 1.00 0.00 C ATOM 896 OH TYR A 61 -9.553 4.398 2.344 1.00 0.00 O ATOM 0 H TYR A 61 -13.240 1.393 -0.351 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.674 1.819 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.488 3.985 -3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.892 4.001 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.480 3.047 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.387 4.510 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.011 3.428 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.921 4.894 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.694 4.762 2.043 1.00 0.00 H new ATOM 906 N VAL A 62 -10.929 1.843 -3.401 1.00 0.00 N ATOM 907 CA VAL A 62 -9.580 1.237 -3.592 1.00 0.00 C ATOM 908 C VAL A 62 -8.518 2.116 -2.930 1.00 0.00 C ATOM 909 O VAL A 62 -7.968 3.004 -3.549 1.00 0.00 O ATOM 910 CB VAL A 62 -9.369 1.198 -5.108 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.889 0.959 -5.415 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.197 0.062 -5.710 1.00 0.00 C ATOM 0 H VAL A 62 -11.131 2.647 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.505 0.245 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.682 2.149 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.741 0.932 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.294 1.766 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.576 0.009 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.047 0.035 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.883 -0.887 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.253 0.228 -5.495 1.00 0.00 H new ATOM 922 N ASP A 63 -8.227 1.879 -1.678 1.00 0.00 N ATOM 923 CA ASP A 63 -7.199 2.705 -0.982 1.00 0.00 C ATOM 924 C ASP A 63 -5.998 2.928 -1.903 1.00 0.00 C ATOM 925 O ASP A 63 -5.094 2.120 -1.969 1.00 0.00 O ATOM 926 CB ASP A 63 -6.796 1.890 0.247 1.00 0.00 C ATOM 927 CG ASP A 63 -6.246 2.828 1.323 1.00 0.00 C ATOM 928 OD1 ASP A 63 -6.023 3.986 1.014 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.059 2.371 2.439 1.00 0.00 O ATOM 0 H ASP A 63 -8.657 1.150 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.575 3.690 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.657 1.343 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.043 1.150 -0.025 1.00 0.00 H new ATOM 934 N THR A 64 -5.993 4.016 -2.624 1.00 0.00 N ATOM 935 CA THR A 64 -4.860 4.292 -3.557 1.00 0.00 C ATOM 936 C THR A 64 -3.531 4.329 -2.797 1.00 0.00 C ATOM 937 O THR A 64 -2.497 3.964 -3.320 1.00 0.00 O ATOM 938 CB THR A 64 -5.172 5.663 -4.156 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.748 6.494 -3.157 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.154 5.504 -5.318 1.00 0.00 C ATOM 0 H THR A 64 -6.724 4.727 -2.608 1.00 0.00 H new ATOM 0 HA THR A 64 -4.761 3.521 -4.321 1.00 0.00 H new ATOM 0 HB THR A 64 -4.251 6.118 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.716 6.553 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.375 6.483 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.712 4.867 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.076 5.049 -4.956 1.00 0.00 H new ATOM 948 N TYR A 65 -3.549 4.774 -1.572 1.00 0.00 N ATOM 949 CA TYR A 65 -2.283 4.840 -0.786 1.00 0.00 C ATOM 950 C TYR A 65 -1.746 3.435 -0.503 1.00 0.00 C ATOM 951 O TYR A 65 -0.567 3.173 -0.635 1.00 0.00 O ATOM 952 CB TYR A 65 -2.665 5.535 0.520 1.00 0.00 C ATOM 953 CG TYR A 65 -1.447 6.208 1.106 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.281 5.468 1.333 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.485 7.571 1.422 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.849 6.092 1.876 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.355 8.194 1.965 1.00 0.00 C ATOM 958 CZ TYR A 65 0.811 7.455 2.192 1.00 0.00 C ATOM 959 OH TYR A 65 1.924 8.070 2.728 1.00 0.00 O ATOM 0 H TYR A 65 -4.383 5.095 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.498 5.372 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.448 6.271 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.068 4.809 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.253 4.416 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.385 8.142 1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.749 5.522 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.383 9.246 2.209 1.00 0.00 H new ATOM 0 HH TYR A 65 1.729 9.017 2.888 1.00 0.00 H new ATOM 969 N TYR A 66 -2.598 2.532 -0.102 1.00 0.00 N ATOM 970 CA TYR A 66 -2.125 1.150 0.202 1.00 0.00 C ATOM 971 C TYR A 66 -2.167 0.270 -1.048 1.00 0.00 C ATOM 972 O TYR A 66 -1.697 -0.854 -1.045 1.00 0.00 O ATOM 973 CB TYR A 66 -3.082 0.636 1.275 1.00 0.00 C ATOM 974 CG TYR A 66 -2.638 1.172 2.613 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.717 0.453 3.381 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.137 2.392 3.079 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.292 0.953 4.616 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.715 2.894 4.316 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.792 2.174 5.086 1.00 0.00 C ATOM 980 OH TYR A 66 -1.374 2.668 6.304 1.00 0.00 O ATOM 0 H TYR A 66 -3.597 2.689 0.028 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.089 1.135 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.101 0.957 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.087 -0.454 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.333 -0.490 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.848 2.947 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.579 0.398 5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.101 3.836 4.677 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.817 3.525 6.479 1.00 0.00 H new ATOM 990 N SER A 67 -2.699 0.774 -2.129 1.00 0.00 N ATOM 991 CA SER A 67 -2.733 -0.039 -3.375 1.00 0.00 C ATOM 992 C SER A 67 -1.329 -0.587 -3.644 1.00 0.00 C ATOM 993 O SER A 67 -1.151 -1.573 -4.330 1.00 0.00 O ATOM 994 CB SER A 67 -3.152 0.935 -4.475 1.00 0.00 C ATOM 995 OG SER A 67 -2.923 0.337 -5.744 1.00 0.00 O ATOM 0 H SER A 67 -3.108 1.706 -2.202 1.00 0.00 H new ATOM 0 HA SER A 67 -3.416 -0.886 -3.315 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.205 1.193 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.586 1.863 -4.390 1.00 0.00 H new ATOM 0 HG SER A 67 -3.192 0.959 -6.452 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.330 0.058 -3.098 1.00 0.00 N ATOM 1002 CA ALA A 68 1.070 -0.403 -3.305 1.00 0.00 C ATOM 1003 C ALA A 68 1.327 -1.713 -2.551 1.00 0.00 C ATOM 1004 O ALA A 68 1.532 -2.748 -3.153 1.00 0.00 O ATOM 1005 CB ALA A 68 1.941 0.718 -2.738 1.00 0.00 C ATOM 0 H ALA A 68 -0.428 0.889 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 68 1.283 -0.601 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.993 0.455 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.738 1.644 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.714 0.856 -1.681 1.00 0.00 H new ATOM 1011 N VAL A 69 1.329 -1.682 -1.240 1.00 0.00 N ATOM 1012 CA VAL A 69 1.589 -2.941 -0.481 1.00 0.00 C ATOM 1013 C VAL A 69 0.784 -4.087 -1.094 1.00 0.00 C ATOM 1014 O VAL A 69 1.176 -5.233 -1.030 1.00 0.00 O ATOM 1015 CB VAL A 69 1.153 -2.670 0.969 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.353 -2.439 1.051 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.514 -3.866 1.846 1.00 0.00 C ATOM 0 H VAL A 69 1.164 -0.851 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 69 2.640 -3.229 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 69 1.670 -1.776 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.636 -2.250 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.623 -1.579 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.877 -3.323 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.204 -3.671 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.005 -4.756 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.592 -4.026 1.817 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.332 -3.781 -1.701 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.156 -4.854 -2.329 1.00 0.00 C ATOM 1029 C CYS A 70 -0.419 -5.464 -3.524 1.00 0.00 C ATOM 1030 O CYS A 70 -0.093 -6.634 -3.535 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.433 -4.152 -2.792 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.751 -4.448 -1.589 1.00 0.00 S ATOM 0 H CYS A 70 -0.708 -2.837 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.364 -5.670 -1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.255 -3.082 -2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.730 -4.524 -3.773 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.157 -4.679 -4.535 1.00 0.00 N ATOM 1038 CA GLY A 71 0.554 -5.214 -5.731 1.00 0.00 C ATOM 1039 C GLY A 71 -0.447 -5.401 -6.873 1.00 0.00 C ATOM 1040 O GLY A 71 -1.012 -4.451 -7.377 1.00 0.00 O ATOM 0 H GLY A 71 -0.405 -3.691 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.345 -4.529 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.030 -6.164 -5.490 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.674 -6.619 -7.283 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.642 -6.861 -8.391 1.00 0.00 C ATOM 1046 C ARG A 72 -3.066 -6.555 -7.916 1.00 0.00 C ATOM 1047 O ARG A 72 -3.895 -6.086 -8.670 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.493 -8.343 -8.733 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.283 -8.534 -9.648 1.00 0.00 C ATOM 1050 CD ARG A 72 -0.410 -9.864 -10.393 1.00 0.00 C ATOM 1051 NE ARG A 72 0.743 -10.678 -9.921 1.00 0.00 N ATOM 1052 CZ ARG A 72 1.476 -11.330 -10.781 1.00 0.00 C ATOM 1053 NH1 ARG A 72 2.078 -10.688 -11.744 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.610 -12.623 -10.675 1.00 0.00 N ATOM 0 H ARG A 72 -0.233 -7.455 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.451 -6.227 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.369 -8.927 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.395 -8.707 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.219 -7.711 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.636 -8.520 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.358 -10.354 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.375 -9.717 -11.473 1.00 0.00 H new ATOM 0 HE ARG A 72 0.960 -10.726 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.976 -9.676 -11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.651 -11.198 -12.416 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.142 -13.124 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.183 -13.133 -11.347 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.353 -6.814 -6.670 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.719 -6.532 -6.144 1.00 0.00 C ATOM 1070 C TYR A 73 -4.797 -5.092 -5.639 1.00 0.00 C ATOM 1071 O TYR A 73 -3.832 -4.356 -5.673 1.00 0.00 O ATOM 1072 CB TYR A 73 -4.910 -7.502 -4.977 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.100 -8.904 -5.499 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -3.991 -9.658 -5.901 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.385 -9.454 -5.575 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.167 -10.961 -6.379 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.562 -10.757 -6.054 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.452 -11.511 -6.457 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.627 -12.796 -6.928 1.00 0.00 O ATOM 0 H TYR A 73 -2.700 -7.209 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.485 -6.655 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.043 -7.465 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.775 -7.205 -4.384 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.000 -9.234 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.240 -8.873 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.311 -11.543 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.554 -11.181 -6.113 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.580 -13.022 -6.915 1.00 0.00 H new ATOM 1089 N PHE A 74 -5.938 -4.692 -5.151 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.075 -3.307 -4.624 1.00 0.00 C ATOM 1091 C PHE A 74 -6.511 -3.359 -3.163 1.00 0.00 C ATOM 1092 O PHE A 74 -7.468 -4.022 -2.817 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.167 -2.649 -5.467 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.948 -2.967 -6.922 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.313 -4.219 -7.423 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.388 -2.006 -7.769 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.118 -4.514 -8.777 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.194 -2.298 -9.123 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.559 -3.553 -9.628 1.00 0.00 C ATOM 0 H PHE A 74 -6.781 -5.264 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.137 -2.755 -4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.148 -3.005 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.156 -1.570 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.745 -4.959 -6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.106 -1.040 -7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.398 -5.482 -9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.763 -1.556 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.409 -3.779 -10.673 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.833 -2.661 -2.302 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.240 -2.679 -0.875 1.00 0.00 C ATOM 1111 C CYS A 75 -7.425 -1.739 -0.690 1.00 0.00 C ATOM 1112 O CYS A 75 -7.273 -0.538 -0.610 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.023 -2.190 -0.089 1.00 0.00 C ATOM 1114 SG CYS A 75 -4.651 -3.379 1.223 1.00 0.00 S ATOM 0 H CYS A 75 -5.021 -2.083 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.545 -3.669 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.165 -2.081 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.221 -1.207 0.339 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.610 -2.279 -0.645 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.806 -1.413 -0.490 1.00 0.00 C ATOM 1121 C CYS A 76 -9.952 -0.985 0.967 1.00 0.00 C ATOM 1122 O CYS A 76 -9.348 -1.551 1.857 1.00 0.00 O ATOM 1123 CB CYS A 76 -10.988 -2.286 -0.920 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.585 -3.144 -2.463 1.00 0.00 S ATOM 0 H CYS A 76 -8.800 -3.279 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.741 -0.502 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.220 -3.011 -0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.877 -1.670 -1.057 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.741 0.018 1.216 1.00 0.00 N ATOM 1130 CA ARG A 77 -10.917 0.494 2.615 1.00 0.00 C ATOM 1131 C ARG A 77 -12.329 1.042 2.815 1.00 0.00 C ATOM 1132 O ARG A 77 -13.116 1.114 1.892 1.00 0.00 O ATOM 1133 CB ARG A 77 -9.885 1.611 2.778 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.602 1.047 3.391 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.926 2.128 4.235 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.925 2.478 5.284 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.639 3.383 6.182 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.412 3.804 6.318 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.584 3.865 6.943 1.00 0.00 N ATOM 0 H ARG A 77 -11.273 0.530 0.512 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.781 -0.304 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.668 2.062 1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.287 2.400 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.832 0.179 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.928 0.709 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.000 1.761 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.668 2.997 3.630 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.832 2.011 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.674 3.427 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.190 4.511 7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.543 3.535 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.363 4.572 7.645 1.00 0.00 H new ATOM 1153 N SER A 78 -12.655 1.434 4.014 1.00 0.00 N ATOM 1154 CA SER A 78 -14.017 1.983 4.272 1.00 0.00 C ATOM 1155 C SER A 78 -13.954 3.507 4.402 1.00 0.00 C ATOM 1156 O SER A 78 -13.798 4.042 5.483 1.00 0.00 O ATOM 1157 CB SER A 78 -14.456 1.348 5.591 1.00 0.00 C ATOM 1158 OG SER A 78 -15.573 2.061 6.105 1.00 0.00 O ATOM 0 H SER A 78 -12.039 1.399 4.826 1.00 0.00 H new ATOM 0 HA SER A 78 -14.714 1.762 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.718 0.302 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.636 1.368 6.308 1.00 0.00 H new ATOM 0 HG SER A 78 -15.859 1.656 6.950 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.073 4.208 3.310 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.020 5.698 3.367 1.00 0.00 C ATOM 1166 C ARG A 79 -15.301 6.250 3.998 1.00 0.00 C ATOM 1167 O ARG A 79 -15.420 6.177 5.210 1.00 0.00 O ATOM 1168 CB ARG A 79 -13.903 6.145 1.910 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.831 7.671 1.847 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.977 8.094 0.649 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.667 8.492 1.233 1.00 0.00 N ATOM 1172 CZ ARG A 79 -10.641 8.699 0.453 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -10.466 9.870 -0.096 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -9.791 7.737 0.223 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.141 6.735 3.258 1.00 0.00 O ATOM 0 H ARG A 79 -14.205 3.814 2.378 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.189 6.059 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.013 5.710 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.760 5.787 1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.834 8.089 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.402 8.064 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.860 7.276 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.437 8.922 0.109 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.571 8.603 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.131 10.622 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.665 10.033 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.928 6.822 0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.990 7.900 -0.387 1.00 0.00 H new TER 1189 ARG A 79